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TITLE: Deep ensembles vs committees for uncertainty estimation in neural-network force fields: Comparison and application to active learning  Full Text
AUTHORS: Carrete, Jesus; Hadrián Montes-Campos; Wanzenboeck, Ralf; Heid, Esther; Madsen, Georg K. H.;
PUBLISHED: 2023, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 158, ISSUE: 20
INDEXED IN: Scopus WOS